SCHEMBL4958555

SCHEMBL4958555

CC1CCN(C(=O)CC(C)(C)C(N)=O)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
NPC1 O15118 5/20 0.53
HPGD P15428 5/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
PHGDH O43175 1/20 0.39
MGLL Q99685 1/20 0.39
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
ACHE P22303 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4957159 0.83 GAA (0.38) ALDH1A1NPC1KMT2AMEN1SMN1; SMN2
SCHEMBL13096329 0.82 ALDH1A1 (0.56) ALDH1A1NPC1HPGDKMT2AMEN1
SCHEMBL14655578 0.82 DPP8 (0.37) ALDH1A1NPC1LMNA
SCHEMBL4959108 0.82 ATM (0.43) ALDH1A1KMT2AMEN1SMN1; SMN2GAA
SCHEMBL10146693 0.82 ALDH1A1 (0.60) ALDH1A1NPC1HPGDKMT2AMEN1
SCHEMBL28773046 0.81 ALDH1A1 (0.51) ALDH1A1NPC1HPGDKMT2AMEN1
SCHEMBL14655305 0.81 DPP4 (0.40) ALDH1A1NPC1GAA
SCHEMBL4654905 0.80 MEN1 (0.43) ALDH1A1KMT2AMEN1SMN1; SMN2GAA
SCHEMBL27555676 0.79 ALDH1A1 (0.56) ALDH1A1NPC1HPGDKMT2AMEN1
SCHEMBL4959138 0.79 CYP1A2 (0.42) ALDH1A1HPGDKMT2APHGDHMGLL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7323448-B2 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2008-01-29 US disclosed
US-7148198-B2 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS, LTD. (GB) 2006-12-12 US disclosed
US-20060276409-A1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2006-12-07 US disclosed
US-20050014702-A1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2005-01-20 US disclosed
US-6787522-B2 BACTERIAL POLYPEPTIDE DEFORMYLASE (PDF) INHIBITORS, N-FORMYL HYDROXYLAMINE DERIVATIVES BRITISH BIOTECH PHARMACEUTICALS (GB) 2004-09-07 US disclosed
EP-1052984-B1 ANTIBACTERIAL AGENTS VERNALIS OXFORD LTD (GB) 2004-05-12 EP disclosed
US-20020165167-A1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2002-11-07 US disclosed
US-6423690-B1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2002-07-23 US disclosed
EP-1052984-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-11-22 EP disclosed
WO-1999039704-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-08-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060276409-A1 Antibacterial agents CBR3, CBR1, SIGMAR1 ALDH1A1 1353/4885NPC1 1406/4885HPGD 3112/4885
US-20050014702-A1 Antibacterial agents CBR3, CBR1, SIGMAR1 ALDH1A1 1353/4885NPC1 1406/4885HPGD 3112/4885
US-20020165167-A1 Antibacterial agents CBR1, CBR3, SIGMAR1 ALDH1A1 629/4885NPC1 1086/4885HPGD 3956/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.